SCHEMBL3723928

SCHEMBL3723928

Cc1cccc(N)c1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
PRKDC P78527 2/20 0.42
CNR2 P34972 2/20 0.42
GAA P10253 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LMNA P02545 2/20 0.41
CYP2A13 Q16696 1/20 0.41
LGMN Q99538 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NSD2 O96028 1/20 0.41
CD44 P16070 1/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4807592 0.87 ALDH1A1 (0.67) ALDH1A1POLBPRKDCCNR2GAA
SCHEMBL30667342 0.83 ALDH1A1 (0.49) ALDH1A1POLBGAAL3MBTL1CD44
SCHEMBL5092234 0.81 ALDH1A1 (0.51) ALDH1A1POLBGAAL3MBTL1CD44
SCHEMBL4435301 0.80 LGMN (0.50) ALDH1A1POLBPRKDCGAALMNA
SCHEMBL16943272 0.79 ALDH1A1 (0.47) ALDH1A1POLBCNR2LMNACYP2A13
SCHEMBL3727243 0.79 GAA (0.49) ALDH1A1CNR2GAALMNACYP2A13
SCHEMBL13724280 0.79 AR (0.42) ALDH1A1POLBPRKDCGAALMNA
SCHEMBL29833315 0.78 PRKDC (0.47) ALDH1A1PRKDCCNR2STK4STK3
SCHEMBL20436325 0.78 L3MBTL1 (0.51) ALDH1A1POLBPRKDCGAALMNA
SCHEMBL6854811 0.78 LGMN (0.47) ALDH1A1POLBGAALMNALGMN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US claimed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US disclosed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 US disclosed